AG006WU9

4836-69-5 | Benzeneethanol,2,4-dinitro-

AG006WU9

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CAS Number	4836-69-5
Catalog Number	AG006WU9(AGN-PC-00H1MC)
Chemical Name	Benzeneethanol,2,4-dinitro-
IUPAC Name	2-(2,4-dinitrophenyl)ethanol
InChI	InChI=1S/C8H8N2O5/c11-4-3-6-1-2-7(9(12)13)5-8(6)10(14)15/h1-2,5,11H,3-4H2
InChI Key	AONMTYOVKUOHQP-UHFFFAOYSA-N
MDL Number	MFCD09991672
Molecular Formula	C8H8N2O5
Molecular Weight	212.1595
SMILES	OCCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Synonyms	2-(2,4-dinitrophenyl)ethanol, 4836-69-5, Benzeneethanol,2,4-dinitro-, 2,4-Dinitro phenyl ethyl alcohol, 2,4-DINITROPHENETHYL ALCOHOL, 2,4-Dinitrophenyl ethyl alcohol, 2,4-DINITROPHENYLETHYL ALCOHOL, W-202851, 2,4-Dinitrophenylethylalcohol, SCHEMBL679338, CTK4J0781, DTXSID00474106, AONMTYOVKUOHQP-UHFFFAOYSA-N, 2-(2,4-Dinitro-phenyl)-ethanol, 2-(2,4-dinitrophenyl)ethan-1-ol, MFCD09991672, ZINC16697721, AKOS030239061, ACM4836695, VZ34395, AS-37595, SY236726, AB0034196, 4CH-004242, X8308, MFCD09991672 (98%), 836D695, C8H8N2O5, ACN-053954, CID11830734,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.043g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.161g/mol
Monoisotopic Mass	212.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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